General Information of the Compound
| Compound ID |
CP0374897
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| Compound Name |
2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methylimidazo[1,2-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1
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| InChI |
InChI=1S/C21H23N5O/c1-16-11-17(12-22)21-23-18(15-26(21)13-16)14-24-7-9-25(10-8-24)19-5-3-4-6-20(19)27-2/h3-6,11,13,15H,7-10,14H2,1-2H3
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| InChIKey |
VXHLHYPOHKQMNB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor